{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7346616 -2.0776936 -2.6266245 ] [ -1.7388934 -1.5905652 0.7620284 ] [ 1.6479898 1.3568914 0.595728 ] [ -2.1832043 2.3515163 1.6776928 ] [ -1.1654913 0.9564923 0.0345092 ] [ 2.3080252 -1.3217904 0.1469559 ] [ -0.6030877 0.3251492 -0.5902899 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.779234260519521e-09 -3.328832111105787e-09 -4.20831636552049e-09 ] [ -2.786014351543423e-09 -2.548366377298076e-09 1.220904086865631e-09 ] [ 2.640370728876868e-09 2.173979678044581e-09 9.544614739559424e-10 ] [ -3.497878887890029e-09 3.767544439290119e-09 2.68796018104449e-09 ] [ -1.867322912605799e-09 1.53246960103522e-09 5.528983344251136e-11 ] [ 3.697864015657244e-09 -2.11774167647788e-09 2.354493072686228e-10 ] [ -9.662530132320443e-10 5.209464465118235e-10 -9.4574867727437e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.588892085572457 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.215874547727834e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2758461 1.2550727 1.7363923 ] [ 1.8324912 0.8824175 4.0161372 ] [ 1.998787 2.796126 5.33821 ] [ 2.333397 3.1950911 3.065182 ] [ 3.8836134 0.1594605 3.1200642 ] [ 4.3525456 2.324515 2.2298446 ] [ 4.0508046 2.0247598 4.5432257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2758461e-10 1.2550727e-10 1.7363923e-10 ] [ 1.8324912e-10 8.824175e-11 4.016137200000001e-10 ] [ 1.998787e-10 2.796126e-10 5.33821e-10 ] [ 2.333397e-10 3.1950911e-10 3.065182e-10 ] [ 3.8836134e-10 1.594605e-11 3.1200642e-10 ] [ 4.3525456e-10 2.324515e-10 2.2298446e-10 ] [ 4.0508046e-10 2.0247598e-10 4.5432257e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.36e-05 1.26e-05 -3.04e-05 ] [ 5.15e-05 -2.7e-06 -4.5e-06 ] [ -3.01e-05 -6.1e-06 1.18e-05 ] [ 7.3e-06 5e-07 3.2e-05 ] [ -3.01e-05 -1.21e-05 5.85e-05 ] [ 2.98e-05 1.57e-05 -8.17e-05 ] [ -1.49e-05 -7.9e-06 1.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.178960204288e-14 2.018742542208e-14 -4.870616927232e-14 ] [ 8.25120959712e-14 -4.32587687616e-15 -7.2097947936e-15 ] [ -4.822551628608e-14 -9.77327738688e-15 1.890568412544e-14 ] [ 1.169588933184e-14 8.010883104e-16 5.12696518656e-14 ] [ -4.822551628608e-14 -1.938633711168e-14 9.37273323168e-14 ] [ 4.774486329984001e-14 2.515417294656e-14 -1.3089782991936e-13 ] [ -2.387243164992e-14 -1.265719530432e-14 2.291112567744e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.660528085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.547787224328598e-18 } }